CID 155821657

Rac-(3r,4r)-4-(hydroxymethyl)piperidine-3,4-diol hydrochloride

Structural Information

Molecular Formula
C6H13NO3
SMILES
C1CNC[C@@H]([C@]1(CO)O)O
InChI
InChI=1S/C6H13NO3/c8-4-6(10)1-2-7-3-5(6)9/h5,7-10H,1-4H2/t5-,6-/m0/s1
InChIKey
FCOKUPOYVWCZEG-WDSKDSINSA-N
Compound name
(3S,4S)-4-(hydroxymethyl)piperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.08954 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09682 132.5
[M+Na]+ 170.07876 138.1
[M-H]- 146.08226 129.0
[M+NH4]+ 165.12336 151.5
[M+K]+ 186.05270 135.7
[M+H-H2O]+ 130.08680 128.1
[M+HCOO]- 192.08774 146.9
[M+CH3COO]- 206.10339 162.7
[M+Na-2H]- 168.06421 137.6
[M]+ 147.08899 125.1
[M]- 147.09009 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.